Information card for entry 4327315

Structure parameters

• Formula: C62 H53 Cl6 P4 Rh S2
• Calculated formula: C60 H49 Cl2 P4 Rh S2
• SMILES: [Rh]12(Cl)(Cl)([S]=P(C3[P]2(C(=P(S1)(c1ccccc1)c1ccccc1)C(=CC=3c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and X-ray Crystal Structure of a Cationic Homoleptic (SPS)2Rh(III) Complex and EPR Study of Its Reduction Process
• Authors of publication: Marjolaine Doux; Nicolas Mézailles; Louis Ricard; Pascal Le Floch; Prashant Adkine; Théo Berclaz; Michel Geoffroy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1147 - 1152
• a: 13.351 ± 0.005 Å
• b: 13.715 ± 0.005 Å
• c: 17.502 ± 0.005 Å
• α: 82.88 ± 0.005°
• β: 74.84 ± 0.005°
• γ: 68.81 ± 0.005°
• Cell volume: 2882.6 ± 1.7 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No